[4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid

C20H24FN3O2 — CID 70985600

IUPAC[4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(CNc2ccc(-c3ccccc3F)nc2)CC1
InChIInChI=1S/C20H24FN3O2/c21-18-4-2-1-3-17(18)19-10-9-16(13-23-19)22-11-14-5-7-15(8-6-14)12-24-20(25)26/h1-4,9-10,13-15,22,24H,5-8,11-12H2,(H,25,26)
InChIKeyVQGJQRORZCCKFU-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.37
Rot. Bonds6

About [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid

[4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid (PubChem CID 70985600) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid
PubChem CID70985600
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid
SMILESO=C(O)NCC1CCC(CNc2ccc(-c3ccccc3F)nc2)CC1
InChIInChI=1S/C20H24FN3O2/c21-18-4-2-1-3-17(18)19-10-9-16(13-23-19)22-11-14-5-7-15(8-6-14)12-24-20(25)26/h1-4,9-10,13-15,22,24H,5-8,11-12H2,(H,25,26)
InChIKeyVQGJQRORZCCKFU-UHFFFAOYSA-N
XLogP4.37
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid (CID 70985600) is [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid is O=C(O)NCC1CCC(CNc2ccc(-c3ccccc3F)nc2)CC1.
What is the InChIKey of [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid?
The InChIKey is VQGJQRORZCCKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-18-4-2-1-3-17(18)19-10-9-16(13-23-19)22-11-14-5-7-15(8-6-14)12-24-20(25)26/h1-4,9-10,13-15,22,24H,5-8,11-12H2,(H,25,26).
What are the key properties of [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid?
[4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid has a molecular weight of 357.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[6-(2-fluorophenyl)-3-pyridinyl]amino]methyl]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 70985600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).